methyl 3-[3-[3-(methylamino)propylamino]propylamino]propanoate

C11H25N3O2 — CID 58052069

IUPACmethyl 3-[3-[3-(methylamino)propylamino]propylamino]propanoate
SMILESCNCCCNCCCNCCC(=O)OC
InChIInChI=1S/C11H25N3O2/c1-12-6-3-7-13-8-4-9-14-10-5-11(15)16-2/h12-14H,3-10H2,1-2H3
InChIKeyZVXCMKBJXFLSJF-UHFFFAOYSA-N
MW231.34 g/mol
LogP-0.27
Rot. Bonds11

About methyl 3-[3-[3-(methylamino)propylamino]propylamino]propanoate

methyl 3-[3-[3-(methylamino)propylamino]propylamino]propanoate (PubChem CID 58052069) has the molecular formula C11H25N3O2 and a molecular weight of 231.34 g/mol. Its IUPAC name is methyl 3-[3-[3-(methylamino)propylamino]propylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[3-[3-(methylamino)propylamino]propylamino]propanoate
PubChem CID58052069
Molecular FormulaC11H25N3O2
Molecular Weight231.34 g/mol
Exact Mass231.19
IUPAC Namemethyl 3-[3-[3-(methylamino)propylamino]propylamino]propanoate
SMILESCNCCCNCCCNCCC(=O)OC
InChIInChI=1S/C11H25N3O2/c1-12-6-3-7-13-8-4-9-14-10-5-11(15)16-2/h12-14H,3-10H2,1-2H3
InChIKeyZVXCMKBJXFLSJF-UHFFFAOYSA-N
XLogP-0.27
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[(3-methoxy-3-oxopropyl)amino]butanoate
CID 60926530
CID 21360332
CID 21360332
methyl 3-(3-methylsulfonylpropylamino)propanoate
CID 61019742
methyl 3-[3-(diethylamino)propylamino]propanoate
CID 43242751
4-[(4-methoxy-4-oxobutyl)amino]butanoic acid
CID 139888388
methyl 4-(3-hydroxypropylamino)butanoate
CID 43392879
3-[(3-methoxy-3-oxopropyl)amino]propyl 2,2-dimethylpropanoate
CID 59031861
methyl 3-[3-[diethoxy(methyl)silyl]propylamino]propanoate
CID 88852058
tert-butyl formate;methyl 3-(methylamino)propanoate
CID 178136368
propyl 3-[3-[(3-oxo-3-propoxypropyl)amino]propylamino]propanoate
CID 58040601
methyl 4-[2-(methylamino)ethoxy]butanoate
CID 82353174
methyl 3-[(3-hydroxy-3-methylbutyl)amino]propanoate
CID 79360276

Frequently Asked Questions

What is the IUPAC name of methyl 3-[3-[3-(methylamino)propylamino]propylamino]propanoate?
The IUPAC name of methyl 3-[3-[3-(methylamino)propylamino]propylamino]propanoate (CID 58052069) is methyl 3-[3-[3-(methylamino)propylamino]propylamino]propanoate.
What is the SMILES notation for methyl 3-[3-[3-(methylamino)propylamino]propylamino]propanoate?
The canonical SMILES for methyl 3-[3-[3-(methylamino)propylamino]propylamino]propanoate is CNCCCNCCCNCCC(=O)OC.
What is the InChIKey of methyl 3-[3-[3-(methylamino)propylamino]propylamino]propanoate?
The InChIKey is ZVXCMKBJXFLSJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O2/c1-12-6-3-7-13-8-4-9-14-10-5-11(15)16-2/h12-14H,3-10H2,1-2H3.
What are the key properties of methyl 3-[3-[3-(methylamino)propylamino]propylamino]propanoate?
methyl 3-[3-[3-(methylamino)propylamino]propylamino]propanoate has a molecular weight of 231.34 g/mol, XLogP of -0.27, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3-[3-(methylamino)propylamino]propylamino]propanoate is sourced from PubChem (CID 58052069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).